Compound Detail
CHEMBL489436
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Basic Information
| ChEMBL ID | CHEMBL489436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTDCUJIWKNKZEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.25
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 24700.0 | nM | 4.61 | Antiproliferative activity against human HeLa cells after 4 hrs by WST-1 assay | 18672316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672316 | 10.1016/j.ejmech.2008.06.020 | HeLa | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine